N,N-dipropylethanethioamide

C8H17NS — CID 19819320

IUPACN,N-dipropylethanethioamide
SMILESCCCN(CCC)C(C)=S
InChIInChI=1S/C8H17NS/c1-4-6-9(7-5-2)8(3)10/h4-7H2,1-3H3
InChIKeyANZQCDHHTZHLNY-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.46
Rot. Bonds4

About N,N-dipropylethanethioamide

N,N-dipropylethanethioamide (PubChem CID 19819320) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N,N-dipropylethanethioamide.

Molecular Properties

Compound NameN,N-dipropylethanethioamide
PubChem CID19819320
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN,N-dipropylethanethioamide
SMILESCCCN(CCC)C(C)=S
InChIInChI=1S/C8H17NS/c1-4-6-9(7-5-2)8(3)10/h4-7H2,1-3H3
InChIKeyANZQCDHHTZHLNY-UHFFFAOYSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

sodium N,N-dipropylcarbamodithioate
CID 539731
disodium;bis(N,N-dipropylcarbamodithioate);trihydrate
CID 159566089
phosphane;tetrakis(1,1,3,3-tetrapropylguanidine)
CID 175106383
1-(2-amino-2-sulfanylideneethyl)-3,3-dimethyl-1-propylurea
CID 79154517
N,N-dibutylpropanethioamide
CID 45118577
3-cyclopropyl-1,1-dipropylthiourea
CID 19653025
N'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide
CID 160913498
N-(2-oxopropyl)-N-propylacetamide
CID 88778030
N-ethyl-N-propylacetamide;methane;propane
CID 161155898
N-(cyclopropylmethyl)-N-propylacetamide
CID 59001159
N-(2-bromoethyl)-N-propylacetamide
CID 80660131
2-[acetyl(propyl)amino]acetic acid
CID 23279438

Frequently Asked Questions

What is the IUPAC name of N,N-dipropylethanethioamide?
The IUPAC name of N,N-dipropylethanethioamide (CID 19819320) is N,N-dipropylethanethioamide.
What is the SMILES notation for N,N-dipropylethanethioamide?
The canonical SMILES for N,N-dipropylethanethioamide is CCCN(CCC)C(C)=S.
What is the InChIKey of N,N-dipropylethanethioamide?
The InChIKey is ANZQCDHHTZHLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-4-6-9(7-5-2)8(3)10/h4-7H2,1-3H3.
What are the key properties of N,N-dipropylethanethioamide?
N,N-dipropylethanethioamide has a molecular weight of 159.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylethanethioamide is sourced from PubChem (CID 19819320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).